4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

C27H30N4O — CID 126593694

IUPAC4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)n(C)n1
InChIInChI=1S/C27H30N4O/c1-18-15-24-27(23(9-10-28-24)25-16-19(2)29-30(25)4)20(3)26(18)22-7-5-21(6-8-22)17-31-11-13-32-14-12-31/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyHQRNOOREXXKRIU-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.06
Rot. Bonds4

About 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (PubChem CID 126593694) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
PubChem CID126593694
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)n(C)n1
InChIInChI=1S/C27H30N4O/c1-18-15-24-27(23(9-10-28-24)25-16-19(2)29-30(25)4)20(3)26(18)22-7-5-21(6-8-22)17-31-11-13-32-14-12-31/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyHQRNOOREXXKRIU-UHFFFAOYSA-N
XLogP5.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)quinoxalin-5-yl)benzyl)morpholine
CID 46398810
(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 16059780
2-Methyl-5-(4-{2-[3-(1H-pyrazol-1-yl)phenyl]ethyl}-1-piperazinyl)quinoline
CID 49850772
N-(2-Morpholin-4-ylethyl)benzo(g)quinolin-4-amine
CID 182791
N-(4-Morpholin-4-ylphenyl)benzo(g)quinolin-4-amine
CID 182792
4-[[2,6-Difluoro-4-[3-(1-piperidin-1-ium-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholin-4-ium
CID 72200117
2-[2-[2-[3-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyrazol-1-yl]ethoxy]ethoxy]ethanamine
CID 155529825
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164610927
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164618451
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164621330
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164623515
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
CID 164628562

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (CID 126593694) is 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is Cc1cc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)n(C)n1.
What is the InChIKey of 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The InChIKey is HQRNOOREXXKRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-18-15-24-27(23(9-10-28-24)25-16-19(2)29-30(25)4)20(3)26(18)22-7-5-21(6-8-22)17-31-11-13-32-14-12-31/h5-10,15-16H,11-14,17H2,1-4H3.
What are the key properties of 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine has a molecular weight of 426.56 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2,5-dimethylpyrazol-3-yl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 126593694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).